Geometry & MOs

Info

ID:

415120

PubChem CID:

135088106

Reduced:

SO6N10C37H46 (1)

Stoich.:

AB6C10D37E46 (1)

Weight, g/mol:

398.195405

ΔHf, kcal/mol:

-157.57

Dipole, Da:

10.29

IP(EA), eV:

 -8.36(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-amino-4-methylpyrimidin-5-yl)-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=NC(=CC=C5)N)C

DOS

IR

Vibrations